Simultaneous prediction of interfacial tension and phase equilibria in binary mixtures

A density gradient theory based method for surface tension calculations

“…7 (a). As reported by Mejía et al [43], by incorporating Wilson equation in the G E mixing rule, the PR EOS is able to successfully describe the surface tension of this mixture. As shown in Fig.…”

Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range

“…Peters and collaborators have made extensive use of the density gradient approach with the PR EOS or with the Associating-Perturbed-Anisotropic-Chain Theory (APACT) to study binary and ternary mixtures of carbon dioxide + butane + decane 28,29 , water + benzene 30,31 , water + ethanol + hexane 31,32 , and gas condensates of n-alkane mixtures 33 . Similar studies with cubic EOSs have been made to describe the interfacial tension of a wide variety of mixtures including: light gases (carbon dioxide, nitrogen or methane) and hydrocarbons [34][35][36] ; refrigerants, nitrogen, argon, alkanes and carbon dioxide 37 ; and associating and non-associating mixtures 38,39 . From a more formal perspective, Mejia and Segura 40,41 have studied the interfacial behaviour of Type IV binary mixtures (with regions of both vapour-liquid and liquid-liquid equilibria) by combining DGT with the van der Waals equation of state.…”

Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory

“…Multiple approaches for the correlation of L ii with temperature exist. One often-used choice successfully applied by other authors is a linear function in temperature [106], i.e.,…”